ethyl 3-methyl-4-(methylcarbamoyl)-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[4-(p-tolylsulfonyl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-methyl-4-(methylcarbamoyl)-5-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-4-(methylcarbamoyl)-5-(4-tosylbutanoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NC)C

InChI

InChI=1S/C21H26N2O6S2/c1-5-29-21(26)18-14(3)17(19(25)22-4)20(30-18)23-16(24)7-6-12-31(27,28)15-10-8-13(2)9-11-15/h8-11H,5-7,12H2,1-4H3,(H,22,25)(H,23,24)